[(2R,3S,4S,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl]methyl octadecanoate

Systemtic Name: [(2R,3S,4S,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl]methyl octadecanoate Openeye Name: [(2R,3S,4S,5R)-5-(4-amino-2-thioxo-pyrimidin-1-yl)-4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl]methyl octadecanoate CAS Name: octadecanoic acid [(2R,3S,4S,5R)-5-(4-amino-2-sulfanylidene-1-pyrimidinyl)-4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-5-(4-amino-2-sulfanylidenepyrimidin-1-yl)-4-hydroxy-3-octadecanoyloxyoxolan-2-yl]methyl octadecanoate Traditional Name: stearic acid [(2R,3S,4S,5R)-5-(4-amino-2-thioxo-pyrimidin-1-yl)-4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C45H81N3O6S MolecularWeight: 792.20614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=S)N)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=S)N)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H81N3O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(49)52-37-38-43(42(51)44(53-38)48-36-35-39(46)47-45(48)55)54-41(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,38,42-44,51H,3-34,37H2,1-2H3,(H2,46,47,55)/t38-,42+,43-,44-/m1/s1